Structure of molecule 37935

Molecule card · MolClass #37935

24808246

24808246: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
24808246Mitochondrial Fusion · compound_name
MolClass ID
37935
InChIKey
SXRPCRZFBUCPSR-LFPVQMOXSA-N
Canonical SMILES
CN2CCCC2(=CC=C1C(=O)N(C)C(N1(C))=S)
Standard InChI
InChI=1S/C12H17N3OS/c1-13-8-4-5-9(13)6-7-10-11(16)15(3)12(17)14(10)2/h6-7H,4-5,8H2,1-3H3/b9-6-,10-7-
Stored Murcko scaffold
[N]1[CH][N]C([CH]1)=CC=C2NCCC2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
1
CDK 2.12 · 2026-08-19
Topological polar surface area
58.88 Ų
CDK 2.12 · 2026-08-19
Molecular weight
251.349 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.603
CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 24808246